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PDB: 115 results

8CPQ
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BU of 8cpq by Molmil
Crystal structure of human protein disulfide isomerase PDIA6 domain b
Descriptor: Protein disulfide-isomerase A6
Authors:Jakob, R.P, Leder, A.L, Hiller, S, Maier, T.
Deposit date:2023-03-03
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human protein disulfide isomerase PDIA6 domain b
To Be Published
3DGS
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BU of 3dgs by Molmil
Changing the determinants of protein stability from covalent to non-covalent interactions by in-vitro evolution: a structural and energetic analysis
Descriptor: Coat protein A
Authors:Jakob, R.P, Kather, I, Dobbek, H, Schmid, F.X.
Deposit date:2008-06-16
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Changing the determinants of protein stability from covalent to non-covalent interactions by in vitro evolution: a structural and energetic analysis.
J.Mol.Biol., 381, 2008
7AYN
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BU of 7ayn by Molmil
Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate
Descriptor: 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
Authors:Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M.
Deposit date:2020-11-12
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Does targeting Arg98 of FimH lead to high affinity antagonists?
Eur.J.Med.Chem., 211, 2020
7AQS
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BU of 7aqs by Molmil
Crystal structure of E. coli DPS in space group P1
Descriptor: DNA protection during starvation protein, FE (III) ION
Authors:Jakob, R.P, Pipercevic, J, Righetto, R, Goldie, K, Stahlberg, H, Maier, T, Hiller, S.
Deposit date:2020-10-22
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a Dps contamination in Mitomycin-C-induced expression of Colicin Ia.
Biochim Biophys Acta Biomembr, 1863, 2021
7NRF
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BU of 7nrf by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ...
Authors:Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S.
Deposit date:2021-03-03
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
7NRE
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BU of 7nre by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ...
Authors:Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S.
Deposit date:2021-03-03
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
7NRI
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BU of 7nri by Molmil
Structure of the darobactin-bound E. coli BAM complex (BamABCDE)
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S.
Deposit date:2021-03-03
Release date:2021-04-21
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
7NL7
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BU of 7nl7 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
7NL6
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BU of 7nl6 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: CALCIUM ION, DC-SIGN, CRD domain, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
7P1C
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BU of 7p1c by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with darobactin B
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein assembly factor BamA, TRP-ASN-UX8-THR-LYS-ARG-PHE
Authors:Jakob, R.P, Modaresi, S.M, Hiller, S, Maier, T.
Deposit date:2021-07-01
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutasynthetic Production and Antimicrobial Characterization of Darobactin Analogs.
Microbiol Spectr, 9, 2021
7R1V
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BU of 7r1v by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with dynobactin A
Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA
Authors:Jakob, R.P, Hiller, S, Maier, T.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
7R1W
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BU of 7r1w by Molmil
E. coli BAM complex (BamABCDE) bound to dynobactin A
Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Jakob, R.P, Hiller, S, Maier, T.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
8AS4
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BU of 8as4 by Molmil
Crystal structure of human beta-arrestin-1
Descriptor: Beta-arrestin-1
Authors:Jakob, R.P, Panwalkar, V, Grzesiek, S.
Deposit date:2022-08-18
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
3KNQ
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BU of 3knq by Molmil
Beta Turn Optimization of the Gene-3-Protein of Filamentous Phage Fd
Descriptor: Attachment protein G3P
Authors:Jakob, R.P, Dobbek, H.
Deposit date:2009-11-12
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Elimination of a cis-proline-containing loop and turn optimization stabilizes a protein and accelerates its folding.
J.Mol.Biol., 399, 2010
4WO7
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BU of 4wo7 by Molmil
Crystal Structure of PrsA from Bacillus subtilis
Descriptor: Foldase protein PrsA
Authors:Jakob, R.P, Maier, T.
Deposit date:2014-10-15
Release date:2014-12-24
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Dimeric Structure of the Bacterial Extracellular Foldase PrsA.
J.Biol.Chem., 290, 2015
4BZA
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BU of 4bza by Molmil
Crystal structure of TamA POTRA domains 1-3 from E. coli
Descriptor: 1,2-ETHANEDIOL, TRANSLOCATION AND ASSEMBLY MODULE TAMA
Authors:Jakob, R.P, Gruss, F, Zaehringer, F, Burmann, B.M, Hiller, S, Maier, T.
Deposit date:2013-07-24
Release date:2013-09-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:The Structural Basis of Autotransporter Translocation by Tama
Nat.Struct.Mol.Biol., 20, 2013
4XO9
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BU of 4xo9 by Molmil
Crystal structure of a FimH*DsG complex from E.coli K12 in space group C2
Descriptor: Minor component of type 1 fimbriae, Protein FimH
Authors:Jakob, R.P, Eras, J, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XO8
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BU of 4xo8 by Molmil
Crystal structure of the FimH lectin domain from E.coli K12 in complex with heptyl alpha-D-mannopyrannoside
Descriptor: Protein FimH, heptyl alpha-D-mannopyranoside
Authors:Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOD
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BU of 4xod by Molmil
Crystal structure of a FimH*DsG complex from E.coli F18
Descriptor: FimG protein, FimH protein
Authors:Jakob, R.P, Sauer, M.M, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOC
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BU of 4xoc by Molmil
Crystal structure of the FimH lectin domain from E.coli F18 in complex with heptyl alpha-D-mannopyrannoside
Descriptor: FimH protein, heptyl alpha-D-mannopyranoside
Authors:Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOB
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BU of 4xob by Molmil
Crystal structure of a FimH*DsF complex from E.coli K12 with bound heptyl alpha-D-mannopyrannoside
Descriptor: FimF, Protein FimH, SULFATE ION, ...
Authors:Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOA
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Crystal structure of a FimH*DsG complex from E.coli K12 in space group P1
Descriptor: FimG, Protein FimH
Authors:Jakob, R.P, Eras, J, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOE
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BU of 4xoe by Molmil
Crystal structure of a FimH*DsG complex from E.coli F18 with bound heptyl alpha-D-mannopyrannoside
Descriptor: CACODYLATE ION, FimG protein, FimH protein, ...
Authors:Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4CW5
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BU of 4cw5 by Molmil
Crystal structure of the enoyl reductase domain of DfnA from Bacillus amyloliquefaciens
Descriptor: DFNA, FLAVIN MONONUCLEOTIDE
Authors:Jakob, R.P, Buhkari, H.S.T, Maier, T.
Deposit date:2014-04-01
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary Origins of the Multienzyme Architecture of Giant Fungal Fatty Acid Synthase.
Structure, 22, 2014
4EO0
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BU of 4eo0 by Molmil
crystal structure of the pilus binding domain of the filamentous phage IKe
Descriptor: Attachment protein G3P
Authors:Jakob, R.P, Geitner, A.J, Weininger, U, Balbach, J, Dobbek, H, Schmid, F.X.
Deposit date:2012-04-13
Release date:2012-05-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural and energetic basis of infection by the filamentous bacteriophage IKe.
Mol.Microbiol., 84, 2012

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